Vitas-M small molecule compound
2-{[1-(2,3-dimethylphenyl)-3-methoxy-3-oxopropyl]carbamoyl}benzoic acid
Catalog ID
STK063713
SMILES COC(=O)CC(c1cccc(c1C)C)NC(=O)c1ccccc1C(=O)O
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C20H21NO5 MW 355.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21NO5/c1-12-7-6-10-14(13(12)2)17(11-18(22)26-3)21-19(23)15-8-4-5-9-16(15)20(24)25/h4-10,17H,11H2,1-3H3,(H,21,23)(H,24,25)InChIKey
KJIIZFFYNADHFP-UHFFFAOYSA-NSynonyms
2((1(23DIMETHYLPHENYL)3METHOXY3OXOPROPYL)CARBAMOYL)BENZOICACID
CC1=C(C(=CC=C1)C(CC(=O)OC)NC(=O)C2=CC=CC=C2C(=O)O)C
InChI=1SC20H21NO5c112761014(13(12)2)17(1118(22)263)2119(23)15845916(15)20(24)25h41017H11H213H3(H2123)(H2425)
MFCD08051657
STK063713
ZINC000009553717
ZINC000013897298
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